Basic information
- CAS
21564-92-1- Standard SMILES
CC1Cc2ccccc2CC1C- InChIKey
NJOXXZPRVMTBBP-UHFFFAOYSA-N- Molecular formula
- C12H16
- Average molar mass
- 160.25 g/mol
- Monoisotopic mass
- 160.12520051
Names & identifiers
- Preferred name
- 2,3-Dimethyltetralin
- IUPAC
- 2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
- English name
- 2,3-Dimethyltetralin
- Molecular formula
- C12H16
- Molecular weight
- 160.26
Names & synonyms
2,3-DIMETHYLTETRALIN2,3-Dimethyl-1,2,3,4-tetrahydronaphthalene21564-92-1Naphthalene, 1,2,3,4-tetrahydro-2,3-dimethyl-2,3-dimethyltetralineSCHEMBL5685470SCHEMBL6326122SCHEMBL31236843SCHEMBL31236844DTXSID70871325NJOXXZPRVMTBBP-UHFFFAOYSA-N2,3-Dimethyl-1,2,3,4-tetrahydronaphthalene #
Database identifiers
- CAS
21564-92-1- PubChem CID
- 30693
- DTXSID
DTXSID70871325- Nikkaji
- J112.955D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Melting point
- -2.5 °C · -2.5°C
- Boiling point
- 246.18 °C · 246.18°C (estimate)
- Density
- 0.94 · 0.9400
- refractive index
- 1.523 · 1.5230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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